3-[ethyl(prop-2-enoyl)amino]propyl propanoate

C11H19NO3 — CID 134486150

IUPAC3-[ethyl(prop-2-enoyl)amino]propyl propanoate
SMILESC=CC(=O)N(CC)CCCOC(=O)CC
InChIInChI=1S/C11H19NO3/c1-4-10(13)12(6-3)8-7-9-15-11(14)5-2/h4H,1,5-9H2,2-3H3
InChIKeyNOLVFYKGARBHCR-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds7

About 3-[ethyl(prop-2-enoyl)amino]propyl propanoate

3-[ethyl(prop-2-enoyl)amino]propyl propanoate (PubChem CID 134486150) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[ethyl(prop-2-enoyl)amino]propyl propanoate.

Molecular Properties

Compound Name3-[ethyl(prop-2-enoyl)amino]propyl propanoate
PubChem CID134486150
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[ethyl(prop-2-enoyl)amino]propyl propanoate
SMILESC=CC(=O)N(CC)CCCOC(=O)CC
InChIInChI=1S/C11H19NO3/c1-4-10(13)12(6-3)8-7-9-15-11(14)5-2/h4H,1,5-9H2,2-3H3
InChIKeyNOLVFYKGARBHCR-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(prop-2-enoyl)amino]propyl propanoate?
The IUPAC name of 3-[ethyl(prop-2-enoyl)amino]propyl propanoate (CID 134486150) is 3-[ethyl(prop-2-enoyl)amino]propyl propanoate.
What is the SMILES notation for 3-[ethyl(prop-2-enoyl)amino]propyl propanoate?
The canonical SMILES for 3-[ethyl(prop-2-enoyl)amino]propyl propanoate is C=CC(=O)N(CC)CCCOC(=O)CC.
What is the InChIKey of 3-[ethyl(prop-2-enoyl)amino]propyl propanoate?
The InChIKey is NOLVFYKGARBHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-10(13)12(6-3)8-7-9-15-11(14)5-2/h4H,1,5-9H2,2-3H3.
What are the key properties of 3-[ethyl(prop-2-enoyl)amino]propyl propanoate?
3-[ethyl(prop-2-enoyl)amino]propyl propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(prop-2-enoyl)amino]propyl propanoate is sourced from PubChem (CID 134486150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).